4-[(6-methylpyridin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(6-methyl-2-pyridinyl)methyl]-N-(2-oxolanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(tetrahydrofurfuryl)-1,4-diazepane-1-carbothioamide Formula: C18H28N4OS MolecularWeight: 348.50612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCC3CCCO3

InChI

InChI=1S/C18H28N4OS/c1-15-5-2-6-16(20-15)14-21-8-4-9-22(11-10-21)18(24)19-13-17-7-3-12-23-17/h2,5-6,17H,3-4,7-14H2,1H3,(H,19,24)